| CAS Number | 1096809-55-0 |
| Catalog Number | AG01AJ1B |
| Chemical Name | 5-fluoro-2-[methyl(pentyl)amino]benzaldehyde |
| IUPAC Name | 5-fluoro-2-[methyl(pentyl)amino]benzaldehyde |
| InChI | InChI=1S/C13H18FNO/c1-3-4-5-8-15(2)13-7-6-12(14)9-11(13)10-16/h6-7,9-10H,3-5,8H2,1-2H3 |
| InChI Key | HFNIFONPMRYDOC-UHFFFAOYSA-N |
| MDL Number | MFCD11639802 |
| Molecular Formula | C13H18FNO |
| Molecular Weight | 223.2865 |
| SMILES | CCCCCN(C1=C(C=O)C=C(F)C=C1)C |
| Synonyms | 5-fluoro-2-[methyl(pentyl)amino]benzaldehyde,
1096809-55-0,
ZINC37233898,
AKOS009463233,
MCULE-1459196842,
NE42628,
EN300-79543,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.291g/mol |
| Monoisotopic Mass | 223.137g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number